%chk=000258462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258462

0 1
Br 6.302027 0.979033 -0.696244
S 0.536888 -1.411985 0.749128
O -0.383644 -0.173071 0.015928
O 0.277529 -2.621160 0.015358
O 0.282045 -1.330980 2.158457
C -1.682624 2.274605 0.427099
C -2.434417 1.001496 0.172132
C -1.764952 -0.227942 -0.008639
C -1.552298 3.108897 -0.858254
C -3.832324 0.985447 0.093512
C -2.440622 -1.423715 -0.260750
C -3.842588 -1.408515 -0.327159
C -4.532233 -0.199656 -0.148000
C -0.815768 4.421674 -0.606448
C 2.088556 -0.773054 0.361452
C -4.580493 -2.680418 -0.588319
C 2.741947 0.065004 1.272079
C 2.686793 -1.092049 -0.862554
C 4.000308 0.589701 0.962433
C 3.945066 -0.572820 -1.183235
C 4.584362 0.263802 -0.264702
H -2.188128 2.864912 1.217223
H -0.671674 2.044205 0.825448
H -1.018735 2.515726 -1.627743
H -2.556888 3.312647 -1.277120
H -4.383865 1.916543 0.227291
H -1.896503 -2.358584 -0.419320
H -5.618218 -0.180691 -0.196512
H -0.726839 5.007186 -1.528551
H 0.198496 4.249458 -0.228988
H -1.338049 5.044658 0.128353
H -5.666900 -2.540360 -0.648563
H -4.391360 -3.417036 0.207316
H -4.258683 -3.141457 -1.533765
H 2.274238 0.308784 2.234564
H 2.176848 -1.754462 -1.573223
H 4.511598 1.242687 1.672538
H 4.412900 -0.821209 -2.138022


%chk=000258462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258462

0 1
Br 6.485018 0.150458 -1.554342
S 0.586436 -0.779796 1.236867
O -0.498545 -0.006433 -0.326665
O 0.296786 -2.379839 1.343537
O 0.480561 0.172275 2.556593
C -2.005566 2.253524 0.696095
C -2.660113 0.970299 0.224895
C -1.871272 -0.136450 -0.242843
C -1.494788 3.134192 -0.480948
C -4.062606 0.814171 0.181600
C -2.476360 -1.349948 -0.675337
C -3.880246 -1.493553 -0.696764
C -4.663126 -0.387772 -0.265682
C -0.830934 4.435131 0.016176
C 2.262363 -0.514493 0.437730
C -4.528175 -2.786917 -1.158917
C 2.942087 0.683194 0.710915
C 2.767794 -1.524831 -0.396102
C 4.208645 0.878820 0.115925
C 4.034646 -1.324966 -0.988935
C 4.732847 -0.125008 -0.728121
H -2.730595 2.837879 1.294888
H -1.149625 2.018866 1.356861
H -0.773268 2.542331 -1.074943
H -2.342089 3.376169 -1.152631
H -4.698961 1.641807 0.516550
H -1.819410 -2.167722 -0.992466
H -5.756453 -0.473332 -0.270656
H -0.471954 5.049467 -0.829848
H 0.036370 4.213798 0.666656
H -1.540594 5.049178 0.602636
H -5.629063 -2.721610 -1.124717
H -4.220059 -3.636554 -0.521720
H -4.236510 -3.035400 -2.196252
H 2.508612 1.431660 1.381295
H 2.203407 -2.447032 -0.564375
H 4.771807 1.795873 0.307748
H 4.464729 -2.090132 -1.640504


